(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine

C8H15N3O — CID 71757970

IUPAC(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)c(OC)c1CN
InChIInChI=1S/C8H15N3O/c1-4-7-6(5-9)8(12-3)11(2)10-7/h4-5,9H2,1-3H3
InChIKeyCBQWQAQDDYPUOV-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.45
Rot. Bonds3

About (3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine

(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine (PubChem CID 71757970) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine
PubChem CID71757970
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)c(OC)c1CN
InChIInChI=1S/C8H15N3O/c1-4-7-6(5-9)8(12-3)11(2)10-7/h4-5,9H2,1-3H3
InChIKeyCBQWQAQDDYPUOV-UHFFFAOYSA-N
XLogP0.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine (CID 71757970) is (3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine is CCc1nn(C)c(OC)c1CN.
What is the InChIKey of (3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine?
The InChIKey is CBQWQAQDDYPUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-7-6(5-9)8(12-3)11(2)10-7/h4-5,9H2,1-3H3.
What are the key properties of (3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine?
(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine has a molecular weight of 169.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 71757970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).